(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (4-benzoxy-3-bromo-5-methoxy-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C23H23BrN4O3 MolecularWeight: 483.35772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C23H23BrN4O3/c1-30-20-15-18(14-19(24)21(20)31-16-17-6-3-2-4-7-17)22(29)27-10-12-28(13-11-27)23-25-8-5-9-26-23/h2-9,14-15H,10-13,16H2,1H3